N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

C8H15N5 — CID 14063729

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CN=C(NC2=NCCCN2)NC1
InChIInChI=1S/C8H15N5/c1-3-9-7(10-4-1)13-8-11-5-2-6-12-8/h1-6H2,(H3,9,10,11,12,13)
InChIKeyJXWAHFHOPHMMAE-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.73
Rot. Bonds

About N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 14063729) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID14063729
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CN=C(NC2=NCCCN2)NC1
InChIInChI=1S/C8H15N5/c1-3-9-7(10-4-1)13-8-11-5-2-6-12-8/h1-6H2,(H3,9,10,11,12,13)
InChIKeyJXWAHFHOPHMMAE-UHFFFAOYSA-N
XLogP-0.73
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131012420
N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 130914659
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285
4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide
CID 21417161
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide
CID 10012329
N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide
CID 152756178
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503
3-hydroxy-5-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid
CID 21306719
N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131223497
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol
CID 127013524
N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120665878
(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
CID 130685314

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 14063729) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is C1CN=C(NC2=NCCCN2)NC1.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is JXWAHFHOPHMMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-9-7(10-4-1)13-8-11-5-2-6-12-8/h1-6H2,(H3,9,10,11,12,13).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of -0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 14063729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).